BDBM33601 (5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone::MLS000115582::SMR000092655::[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone::cid_971668

SMILES COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1

InChI Key InChIKey=YLUMVCNEFHTQHD-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 33601   

TargetProthrombin(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33601((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...)
Affinity DataIC50:  486nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33601((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...)
Affinity DataIC50:  503nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33601((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...)
Affinity DataIC50:  713nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33601((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...)
Affinity DataIC50:  1.85E+3nMAssay Description:Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0% Tween20 surfactant by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33601((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...)
Affinity DataIC50:  2.63E+3nMAssay Description:Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0.01% Tween20 surfactant by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33601((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...)
Affinity DataIC50:  2.43E+3nMAssay Description:Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr in presence of 0.02% Tween20 surfactant by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33601((5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-met...)
Affinity DataIC50:  680nMAssay Description:Inhibition of human factor 12a using Boc-Gly-Gln-Arg-AMC substrate incubated for 1 hr by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed